[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [2-[[(3R)-1,1-diketothiolan-3-yl]-ethyl-amino]-2-keto-ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CCN([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C19H21N3O6S/c1-3-22(14-6-9-29(25,26)12-14)16(23)11-27-19(24)17-13(2)28-18(15(17)10-20)21-7-4-5-8-21/h4-5,7-8,14H,3,6,9,11-12H2,1-2H3/t14-/m1/s1